N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
Compound characteristics
Compound ID: | V028-6186 |
Compound Name: | N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide |
Molecular Weight: | 468.46 |
Molecular Formula: | C25 H22 F2 N2 O5 |
Smiles: | COc1ccc(cc1OC)C(Nc1ccc2c(CN(Cc3cc(cc(c3)F)F)C(CO2)=O)c1)=O |
Stereo: | ACHIRAL |
logP: | 3.1585 |
logD: | 3.1585 |
logSw: | -3.417 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.929 |
InChI Key: | YQEHDEWJGANOET-UHFFFAOYSA-N |